Interface contact and modulated electronic properties by in-plain strains in a graphene-MoS 2 heterostructure
Designing a specific heterojunction by assembling suitable two-dimensional (2D) semiconductors has shown significant potential in next-generation micro-nano electronic devices. In this paper, we study the structural and electronic properties of graphene-MoS (Gr-MoS ) heterostructures with in-plain b...
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Veröffentlicht in: | RSC advances 2023-01, Vol.13 (5), p.2903-2911 |
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Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | Designing a specific heterojunction by assembling suitable two-dimensional (2D) semiconductors has shown significant potential in next-generation micro-nano electronic devices. In this paper, we study the structural and electronic properties of graphene-MoS
(Gr-MoS
) heterostructures with in-plain biaxial strain using density functional theory. It is found that the interaction between graphene and monolayer MoS
is characterized by a weak van der Waals interlayer coupling with the stable layer spacing of 3.39 Å and binding energy of 0.35 J m
. In the presence of MoS
, the linear bands on the Dirac cone of graphene are slightly split. A tiny band gap about 1.2 meV opens in the Gr-MoS
heterojunction due to the breaking of sublattice symmetry, and it could be effectively modulated by strain. Furthermore, an n-type Schottky contact is formed at the Gr-MoS
interface with a Schottky barrier height of 0.33 eV, which can be effectively modulated by in-plane strain. Especially, an n-type ohmic contact is obtained when 6% tensile strain is imposed. The appearance of the non-zero band gap in graphene has opened up new possibilities for its application and the ohmic contact predicts the Gr-MoS
van der Waals heterojunction nanocomposite as a competitive candidate in next-generation optoelectronics and Schottky devices. |
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ISSN: | 2046-2069 2046-2069 |
DOI: | 10.1039/D2RA07949F |